Caleprunin B
TL;DR: Caleprunin B (CAS 17249-61-5) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dimethoxy-1-benzofuran-2-yl)ethanone
Also Known As: Eupatarone, Caleprunin B, 2-Acetyl-5,6-dimethoxybenzofuran, Ketone, 5,6-dimethoxy-2-benzofuranyl methyl, 1-(5,6-dimethoxy-1-benzofuran-2-yl)ethanone
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 17249-61-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=CC(=C(C=C2O1)OC)OC |
| InChIKey | PBFSOUHYSIPPGH-UHFFFAOYSA-N |
Product Overview
Caleprunin B (CAS 17249-61-5), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 1-(5,6-dimethoxy-1-benzofuran-2-yl)ethanone.
Chemical Property Profile of Caleprunin B
Property Insights of Caleprunin B
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caleprunin B. With a topological polar surface area (TPSA) of 48.7 Ų, Caleprunin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caleprunin B has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caleprunin B?
The CAS number of Caleprunin B is 17249-61-5.
What is the molecular formula of Caleprunin B?
The molecular formula of Caleprunin B is C12H12O4.
What is the molecular weight of Caleprunin B?
The molecular weight of Caleprunin B is 220.07 g/mol.
Where can I buy Caleprunin B?
You can request a quote for Caleprunin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caleprunin B?
Yes, KEHONG BIO provides custom synthesis services for Caleprunin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.